![CAS 2377352-49-1 Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377352-49-1.gif)
CAS RN: 2377352-49-1
Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: starshine_CAS2377352-49-1
- Purity/Analytical Methods: >99.0%
2377352-49-1 / (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
Basic Information
CAS
2377352-49-1
Multi CAS
No
Molecular Formula
C25H26N8O
Molecular Weight
454.500000
Exact Mass
454.222957
SMILES
C1CC2=C(C=CC=N2)N(C1)C3=NNC4=NC(=CN=C43)N5CCC6(CC5)[C@@H](C7=CC=CC=C7O6)N
InChI
InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1
InChIKey
RGCGBFIARQENML-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
129.42
TPSA
109.08
LogP / Solubility
WLOGP
3.26
MLOGP
2.9
XLogP3
2.4
Consensus LogP
2.85
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 2377354-94-2 tert-butyl 4-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4′-piperidine]-1′-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 4-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4′-piperidine]-1′-carboxylate
- CAS RN: 2377354-94-2
- Product Code: SSC-115641
-
Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)-
- CAS RN: 2377355-25-2
- Product Code: SSC-115644
-
Spiro[6H-cyclopenta[b]pyridine-6,4′-piperidin]-5-amine, 5,7-dihydro-, hydrochloride (1:2), (5S)-
- CAS RN: 2377355-48-9
- Product Code: SSC-115646
-
-
MRGPRX1 agonist 1
- CAS RN: 2377379-39-8
- Product Code: starshine_CAS2377379-39-8
- Purity/Analytical method: >99.0%
-
![CAS 2377354-94-2 tert-butyl 4-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377354-94-2.gif)
![CAS 2377355-25-2 Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377355-25-2.gif)
![CAS 2377355-48-9 Spiro[6H-cyclopenta[b]pyridine-6,4′-piperidin]-5-amine, 5,7-dihydro-, hydrochloride (1:2), (5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377355-48-9.gif)
